(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide

C18H23N3O5S — CID 1125531

IUPAC(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O5S/c19-27(24,25)14-7-5-13(6-8-14)20-17(22)15-3-1-2-4-16(15)18(23)21-9-11-26-12-10-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,22)(H2,19,24,25)/t15-,16+/m0/s1
InChIKeySZTKMOLGUNGKDK-JKSUJKDBSA-N
MW393.47 g/mol
LogP0.71
Rot. Bonds4

About (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide

(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 1125531) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID1125531
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O5S/c19-27(24,25)14-7-5-13(6-8-14)20-17(22)15-3-1-2-4-16(15)18(23)21-9-11-26-12-10-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,22)(H2,19,24,25)/t15-,16+/m0/s1
InChIKeySZTKMOLGUNGKDK-JKSUJKDBSA-N
XLogP0.71
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125529
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6970208
(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 124621745
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 129477988
1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319
5-morpholin-4-yl-5-oxo-N-(4-sulfamoylphenyl)pentanamide
CID 1125536
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
2-(morpholine-4-carbonyl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109133413
N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide (CID 1125531) is (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1.
What is the InChIKey of (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is SZTKMOLGUNGKDK-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N3O5S/c19-27(24,25)14-7-5-13(6-8-14)20-17(22)15-3-1-2-4-16(15)18(23)21-9-11-26-12-10-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,22)(H2,19,24,25)/t15-,16+/m0/s1.
What are the key properties of (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 1125531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).